Q9HQ62 - HALSA - GREMLIN Contacts

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Q9HQ62 - 3-methyladenine DNA glycosylase

UniProt:	Q9HQ62	Sequences: MADAHDALRTDPTLAPLLDAHGELAVTPHDDLFERLVVAIIRQQLSTDAAATIRERVFDAVDVTPAGIAAADPAVLRDAGLSRQKTDYVTNVAAAFREHDYTRARFAELSDAAVREELTAITGVGDWTASMFLLFALGRADVFPVGDLGIRTGMQALYGADTTRAEMREIADSWRPYRSYASLYVWRAQDA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	191 (181)
Sequences:	3977 (2780)
Seq/√Len:	206.6

ECOLI - 3MG2
BACSU - YFJP 3MGA
HALSA - Q9HQ62 Q9HQ94

GREMLIN Results:

Legend: The darker and larger the blue dots, the higher coevolution strength.

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
115_R	130_S	3.129	1.00
72_D	75_V	3.005	1.00
52_T	56_R	2.880	1.00
37_V	89_V	2.857	1.00
110_S	113_A	2.721	1.00
172_D	175_R	2.518	1.00
111_D	139_R	2.514	1.00
64_T	67_G	2.316	1.00
94_A	98_E	2.293	1.00
163_T	166_E	2.255	1.00
84_Q	87_D	2.225	1.00
148_L	152_T	2.219	1.00
117_E	120_A	2.142	1.00
91_N	95_A	2.103	1.00
40_I	92_V	2.081	1.00
49_A	52_T	2.053	1.00
87_D	122_T	1.931	1.00
73_P	90_T	1.926	1.00
141_D	178_R	1.896	1.00
134_L	179_S	1.853	1.00
33_F	65_P	1.836	1.00
119_T	129_A	1.833	1.00
95_A	100_D	1.814	1.00
91_N	121_I	1.768	1.00
154_M	167_M	1.758	1.00
36_L	92_V	1.745	1.00
126_D	130_S	1.731	1.00
90_T	94_A	1.693	1.00
57_V	68_I	1.689	1.00
119_T	126_D	1.672	1.00
115_R	119_T	1.666	1.00
96_F	103_R	1.664	1.00
46_S	49_A	1.661	1.00
55_E	59_D	1.623	1.00
41_I	54_R	1.610	1.00
114_V	133_L	1.602	1.00
87_D	91_N	1.596	1.00
61_V	71_A	1.559	1.00
152_T	155_Q	1.555	1.00
36_L	132_F	1.546	1.00
102_T	105_R	1.529	1.00
174_W	181_A	1.526	1.00
32_L	132_F	1.475	1.00
11_D	158_Y	1.460	1.00
33_F	93_A	1.448	1.00
143_F	171_A	1.443	1.00
105_R	117_E	1.443	1.00
16_P	20_A	1.429	1.00
95_A	121_I	1.423	1.00
133_L	139_R	1.403	1.00
142_V	179_S	1.357	1.00
73_P	86_T	1.334	1.00
41_I	81_L	1.323	1.00
115_R	133_L	1.311	1.00
66_A	97_R	1.310	1.00
46_S	148_L	1.309	1.00
91_N	94_A	1.295	1.00
60_A	75_V	1.286	1.00
149_G	153_G	1.256	1.00
48_D	51_A	1.248	1.00
11_D	174_W	1.236	1.00
112_A	116_E	1.231	1.00
171_A	174_W	1.207	1.00
40_I	88_Y	1.207	1.00
153_G	185_V	1.205	1.00
141_D	175_R	1.191	1.00
56_R	80_G	1.190	1.00
39_A	128_T	1.181	1.00
113_A	116_E	1.177	1.00
150_I	182_S	1.157	1.00
75_V	78_D	1.155	1.00
84_Q	88_Y	1.154	1.00
92_V	121_I	1.154	1.00
42_R	47_T	1.153	1.00
13_T	158_Y	1.149	1.00
177_Y	180_Y	1.144	1.00
91_N	122_T	1.136	1.00
45_L	49_A	1.136	1.00
41_I	53_I	1.136	1.00
72_D	90_T	1.107	1.00
39_A	131_M	1.107	1.00
60_A	79_A	1.099	1.00
115_R	129_A	1.086	1.00
69_A	93_A	1.083	1.00
33_F	37_V	1.075	1.00
118_L	124_V	1.075	1.00
164_R	168_R	1.068	1.00
65_P	93_A	1.060	1.00
86_T	90_T	1.051	1.00
73_P	87_D	1.048	1.00
109_L	117_E	1.040	1.00
53_I	56_R	1.028	1.00
38_V	54_R	1.025	1.00
144_P	182_S	1.025	1.00
57_V	79_A	1.021	1.00
109_L	113_A	1.019	1.00
114_V	137_L	1.017	1.00
82_S	85_K	1.011	1.00
65_P	96_F	1.010	1.00
124_V	128_T	0.990	1.00
113_A	117_E	0.989	1.00
139_R	142_V	0.985	1.00
170_I	173_S	0.982	1.00
111_D	141_D	0.977	1.00
57_V	61_V	0.974	1.00
15_A	19_D	0.971	1.00
56_R	59_D	0.962	1.00
111_D	133_L	0.961	1.00
53_I	81_L	0.952	0.99
74_A	78_D	0.948	0.99
151_R	155_Q	0.947	0.99
145_V	168_R	0.945	0.99
143_F	174_W	0.932	0.99
71_A	75_V	0.920	0.99
69_A	97_R	0.914	0.99
183_L	187_R	0.914	0.99
49_A	53_I	0.907	0.99
157_L	185_V	0.907	0.99
33_F	96_F	0.903	0.99
77_R	83_R	0.902	0.99
29_H	35_R	0.893	0.99
88_Y	91_N	0.889	0.99
81_L	89_V	0.888	0.99
169_E	172_D	0.887	0.99
105_R	109_L	0.885	0.99
101_Y	121_I	0.882	0.99
166_E	169_E	0.873	0.99
131_M	135_F	0.868	0.99
175_R	178_R	0.866	0.99
61_V	68_I	0.865	0.99
28_P	138_G	0.861	0.99
74_A	83_R	0.856	0.99
114_V	139_R	0.846	0.99
179_S	182_S	0.844	0.99
159_G	162_T	0.838	0.99
167_M	171_A	0.832	0.99
58_F	63_V	0.828	0.99
8_L	19_D	0.820	0.98
16_P	19_D	0.820	0.98
115_R	126_D	0.809	0.98
43_Q	127_W	0.807	0.98
130_S	144_P	0.805	0.98
58_F	62_D	0.802	0.98
47_T	131_M	0.795	0.98
45_L	53_I	0.793	0.98
100_D	120_A	0.792	0.98
69_A	94_A	0.791	0.98
21_H	187_R	0.782	0.98
24_L	183_L	0.770	0.98
106_F	114_V	0.764	0.98
57_V	63_V	0.758	0.97
35_R	136_A	0.757	0.97
49_A	80_G	0.756	0.97
150_I	185_V	0.755	0.97
47_T	148_L	0.754	0.97
116_E	120_A	0.753	0.97
109_L	114_V	0.753	0.97
14_L	17_L	0.751	0.97
38_V	42_R	0.747	0.97
143_F	182_S	0.743	0.97
76_L	89_V	0.739	0.97
8_L	18_L	0.737	0.97
66_A	70_A	0.737	0.97
44_Q	49_A	0.731	0.97
88_Y	122_T	0.730	0.97
51_A	55_E	0.730	0.97
168_R	171_A	0.729	0.97
23_E	27_T	0.725	0.97
111_D	115_R	0.723	0.97
35_R	38_V	0.719	0.96
134_L	144_P	0.714	0.96
180_Y	183_L	0.712	0.96
53_I	80_G	0.712	0.96
69_A	90_T	0.708	0.96
131_M	134_L	0.704	0.96
165_A	169_E	0.702	0.96
124_V	132_F	0.699	0.96
150_I	154_M	0.694	0.96
83_R	87_D	0.686	0.95
18_L	184_Y	0.686	0.95
45_L	85_K	0.684	0.95
154_M	171_A	0.683	0.95
11_D	14_L	0.681	0.95
67_G	70_A	0.681	0.95
65_P	97_R	0.680	0.95
111_D	142_V	0.679	0.95
126_D	146_G	0.675	0.95
140_A	180_Y	0.665	0.95
168_R	175_R	0.664	0.94
150_I	153_G	0.661	0.94
73_P	77_R	0.657	0.94
83_R	86_T	0.657	0.94
39_A	42_R	0.656	0.94
24_L	184_Y	0.656	0.94
168_R	172_D	0.655	0.94
145_V	164_R	0.653	0.94
36_L	124_V	0.652	0.94
92_V	95_A	0.649	0.94
133_L	137_L	0.642	0.93
61_V	75_V	0.642	0.93
68_I	93_A	0.639	0.93
45_L	127_W	0.638	0.93
52_T	82_S	0.632	0.93
25_A	63_V	0.630	0.93
26_V	183_L	0.629	0.93
42_R	45_L	0.626	0.93
149_G	152_T	0.626	0.93
160_A	166_E	0.625	0.92
133_L	136_A	0.619	0.92
44_Q	82_S	0.614	0.92
42_R	50_A	0.613	0.92
32_L	103_R	0.613	0.92
146_G	164_R	0.612	0.92
181_A	185_V	0.611	0.92
7_A	10_T	0.607	0.91
120_A	129_A	0.604	0.91
171_A	178_R	0.601	0.91
19_D	22_G	0.600	0.91
131_M	144_P	0.596	0.91
158_Y	170_I	0.596	0.91
54_R	58_F	0.593	0.90
60_A	78_D	0.592	0.90
136_A	183_L	0.589	0.90
42_R	131_M	0.587	0.90
44_Q	149_G	0.582	0.90
95_A	98_E	0.582	0.90
29_H	135_F	0.578	0.89
77_R	82_S	0.575	0.89
141_D	176_P	0.570	0.89
111_D	130_S	0.570	0.89
14_L	181_A	0.564	0.88
53_I	86_T	0.561	0.88
61_V	67_G	0.561	0.88
50_A	127_W	0.556	0.87
112_A	115_R	0.556	0.87
112_A	126_D	0.553	0.87
133_L	142_V	0.551	0.87
95_A	101_Y	0.551	0.87
39_A	50_A	0.551	0.87
32_L	136_A	0.544	0.86
42_R	186_W	0.544	0.86
136_A	143_F	0.544	0.86
94_A	100_D	0.543	0.86
71_A	78_D	0.543	0.86
53_I	79_A	0.543	0.86
63_V	67_G	0.543	0.86
111_D	114_V	0.542	0.86
34_E	58_F	0.540	0.86
129_A	132_F	0.538	0.86
92_V	132_F	0.534	0.85
34_E	54_R	0.531	0.85
105_R	108_E	0.531	0.85
151_R	167_M	0.529	0.85
29_H	138_G	0.528	0.85
85_K	125_G	0.521	0.84
35_R	135_F	0.520	0.84
17_L	184_Y	0.520	0.84
167_M	170_I	0.519	0.84
182_S	186_W	0.519	0.84
45_L	52_T	0.519	0.84
44_Q	148_L	0.518	0.83
114_V	129_A	0.517	0.83
95_A	120_A	0.517	0.83
46_S	80_G	0.512	0.83
14_L	158_Y	0.511	0.83
144_P	150_I	0.508	0.82
70_A	75_V	0.507	0.82
23_E	26_V	0.507	0.82
151_R	161_D	0.503	0.82
164_R	167_M	0.502	0.82
44_Q	53_I	0.501	0.81
70_A	97_R	0.500	0.81

Legend: The i and j are positions as given in the UniProt sequence. Only predictions with Prob ≥ 0.7 are listed. For all 3L/2 predictions, click on one of the links below.

Sco = ((raw_sco - min_sco)/(avg_sco - min_sco))/2 + 0.5
Prob = P(contact | Sco, seq80/√len)
seq80 = effective number of sequences, after reducing redundancy to 80% identity

Text file of predictions (all 3L/2 predictions)
Generate restraints for ROSETTA Structure Modeling
Upload PDB model overlay contacts on the model

HHsearch Results:

Legend: GREMLIN results (Prob ≥ 0.7) overlaid on top PDB hits. The grey/red filled circles underneath are pdb residue contacts (min distance < 5 Angstroms). The shade of the circles is based on the top 10 (or top 20 if e-value < 1E-20) HHsearch results which uses the overall probability and per-site alignment prob. Inter oligomeric contacts in the pdb are in shades of red.

PDB	Chains	Cov	%	HHΔ
2yg9A	1	0.9738	100	0.225	Contact Map
4b21A	2	1	100	0.241	Contact Map
2h56A	1	1	100	0.242	Contact Map
3i0wA	1	0.9843	100	0.265	Contact Map
4ejyA	1	0.9843	100	0.271	Contact Map
2jhnA	1	0.9686	100	0.277	Contact Map
3s6iA	1	0.9948	100	0.283	Contact Map
2xhiA	1	0.9843	100	0.302	Contact Map
1mpgA	1	0.9634	100	0.304	Contact Map
3fhfA	1	0.9215	100	0.449	Contact Map

Sequence Conservation (Image Generated using WebLogo v3)

Legend: Color is used to show Hydrophobicity (Blue: Hydrophilic, Green: Neutral and Black: Hydrophobic). Amount of gaps is represented by width.

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